相关论文: Surface step effects on Si (100) under uniaxial te…

We have investigated the response of amorphous silicon (a-Si), in particular crystallization, to external mechanical shear deformations using classical molecular dynamics (MD) simulations and the empirical Environment Dependent Inter-atomic…

A method for obtaining a smooth, single crystal diamond surface is presented, whereby a sacrificial defective layer is created by implantation and graphitized by annealing before being selectively etched. We have used O+ at 240 keV, the…

In-depth understanding of the retarded oxidation phenomenon observed during the oxidation of silicon nanostructures is proposed. The wet thermal oxidation of various silicon nanostructures such as nanobeams, concave/convex nanorings and…

We present a comprehensive study on the formation of micrometer-sized, textured hexagonal diamond silicon (hd-Si) crystals via nanoindentation followed by annealing. Utilizing advanced characterization techniques such as polarized Raman…

In this paper, experiments on the deposition of silver nanoclusters are analysed numerically using improved DSMC method. These experiments were made in the Institute of Thermophysics SB RAS recent years, in the context of the development of…

We have carried out first-principles based DFT calculation on electronic properties of silicene monolayer on various (111) semi-conducting surfaces. We find that the relative stability and other properties of the silicene overlayer depends…

We studied the step dynamics during crystal sublimation and growth in the limit of fast surface diffusion and slow kinetics of atom attachment-detachment at the steps. For this limit we formulate a model free of the quasi-static…

Topological surface states are a class of novel electronic states that are of potential interest in quantum computing or spintronic applications. Unlike conventional two-dimensional electron states, these surface states are expected to be…

We investigate a prominent vibrational feature in amorphous silica, the so-called boson peak, by means of molecular dynamics computer simulations. The dynamic structure factor S(q,nu) in the liquid, as well as in the glass state, scales…

Characteristic shock effects in silica serve as a key indicator of historical impacts at geological sites. Despite this geological significance, atomistic details of structural transformations under high pressure and shock compression…

Nanoscale step structures have attracted recent interest owing to their importance in both fundamental and applied research, for example in adsorption, in catalysis, and in directing nanowire growth. Here, we used a template-stripping…

We study atomistically the fracture of single crystal silicon at atomically sharp notches with opening angles of 0 degrees (a crack), 70.53 degrees, 90 degrees and 125.3 degrees. Such notches occur in silicon that has been formed by etching…

Defects introduced to the surface of Bi(111) break the translational symmetry and modify the surface states locally. We present a theoretical and experimental study of the 2D defects on the surface of Bi(111) and the states that they…

Using molecular-dynamics simulation and finite-element modelling, we simulate nanoindentation into the three principal surfaces -- the (100), (110) and (111) surface -- of Cu and Al. In the elastic regime, the simulation data agree fairly…

We report a first principles theoretical study of the surface relaxation and lattice dynamics of the Cu(211) surface using the plane wave pseudopotential method. We find large atomic relaxations for the first several atomic layers near the…

Strain in a material induces shifts in vibrational frequencies, which is a probe of the nature of the vibrations and interatomic potentials, and can be used to map local stress/strain distributions via Raman microscopy. This method is…

Nanoporosity in silicon results in an interface-dominated mechanics, fluidics and photonics that are often superior to the ones of the bulk material. However, their active control, e.g. as a response to electronic stimuli, is challenging…

We present a new finite deformation, dynamic finite element model that incorporates surface tension to capture elastocapillary effects on the electromechanical deformation of dielectric elastomers. We demonstrate the significant effect that…

We model an apparent instability seen in recent experiments on current induced step bunching on Si(111) surfaces using a generalized 2D BCF model, where adatoms have a diffusion bias parallel to the step edges and there is an attachment…

Our investigations on porous Si show that on increase of pressure it undergoes crystalline phase transitions instead of pressure induced amorphization - claimed earlier, and the amorphous phase appears only on release of pressure. This…